O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine

C6H15IN2O — CID 163939305

IUPACO-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine
SMILESC=IC(CON)NC(C)C
InChIInChI=1S/C6H15IN2O/c1-5(2)9-6(7-3)4-10-8/h5-6,9H,3-4,8H2,1-2H3
InChIKeyRPPJBNPVBQRTAS-UHFFFAOYSA-N
MW258.10 g/mol
LogP0.60
Rot. Bonds5

About O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine

O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine (PubChem CID 163939305) has the molecular formula C6H15IN2O and a molecular weight of 258.10 g/mol. Its IUPAC name is O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine
PubChem CID163939305
Molecular FormulaC6H15IN2O
Molecular Weight258.10 g/mol
Exact Mass258.02
IUPAC NameO-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine
SMILESC=IC(CON)NC(C)C
InChIInChI=1S/C6H15IN2O/c1-5(2)9-6(7-3)4-10-8/h5-6,9H,3-4,8H2,1-2H3
InChIKeyRPPJBNPVBQRTAS-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-(2-nitrosopropyl)hydroxylamine
CID 121258212
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
CID 87569665
CID 87569665
octan-1-amine;N-propan-2-ylpropan-2-amine
CID 174973073
(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
CID 101182979
O-[3-(propan-2-ylamino)propyl]hydroxylamine
CID 143003444
1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
CID 174625889
CID 174625889
1-methoxy-N-propan-2-yl-3-propan-2-yloxypropan-2-amine
CID 176738285
[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid
CID 151292352
1-(propan-2-ylamino)octyl prop-2-enoate
CID 23460629
2-methylpropanehydrazide;O-(2-methylpropyl)hydroxylamine
CID 164972287

Frequently Asked Questions

What is the IUPAC name of O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine?
The IUPAC name of O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine (CID 163939305) is O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine is C=IC(CON)NC(C)C.
What is the InChIKey of O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine?
The InChIKey is RPPJBNPVBQRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15IN2O/c1-5(2)9-6(7-3)4-10-8/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine?
O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine has a molecular weight of 258.10 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(methylidene-λ3-iodanyl)-2-(propan-2-ylamino)ethyl]hydroxylamine is sourced from PubChem (CID 163939305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).